1-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C20H23FN3O4+ MolecularWeight: 388.412723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4/c1-14(25)15-3-5-18(19(12-15)24(26)27)23-9-7-22(8-10-23)13-16-11-17(21)4-6-20(16)28-2/h3-6,11-12H,7-10,13H2,1-2H3/p+1